Vitas-M small molecule compound
[(5E)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK392717
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H16N2O7S2 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7S2/c1-28-16-8-13(9-17-19(25)21(10-18(23)24)20(30)31-17)4-7-15(16)29-11-12-2-5-14(6-3-12)22(26)27/h2-9H,10-11H2,1H3,(H,23,24)/b17-9+InChIKey
FOPBKWHCYMYQRO-RQZCQDPDSA-NSynonyms
312608-15-4((5E)5(3methoxy4((4nitrobenzyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
312608154
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC20H16N2O7S2c12816813(91719(25)21(1018(23)24)20(30)3117)4715(16)2911122514(6312)22(26)27h29H1011H21H3(H2324)b179+
MFCD01245793
ZINC000003097632
ZINC3097632
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